3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid

C52H96N2O8 — CID 23497897

IUPAC3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(CC1CC(C)(C)NC(C)(C)C1)(C1CC(C)(C)NC(C)(C)C1)C(CCCCCCCCCCCCC)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C52H96N2O8/c1-11-13-15-17-19-21-23-25-27-29-31-33-50(41-38-48(7,8)54-49(9,10)39-41,37-40-35-46(3,4)53-47(5,6)36-40)51(42(55)56,52(43(57)58,44(59)60)45(61)62)34-32-30-28-26-24-22-20-18-16-14-12-2/h40-41,53-54H,11-39H2,1-10H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKeyBAJHHAFFXYZQCI-UHFFFAOYSA-N
MW877.35 g/mol
LogP13.19
Rot. Bonds33

About 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid

3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid (PubChem CID 23497897) has the molecular formula C52H96N2O8 and a molecular weight of 877.35 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid
PubChem CID23497897
Molecular FormulaC52H96N2O8
Molecular Weight877.35 g/mol
Exact Mass876.72
IUPAC Name3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid
SMILESCCCCCCCCCCCCCC(CC1CC(C)(C)NC(C)(C)C1)(C1CC(C)(C)NC(C)(C)C1)C(CCCCCCCCCCCCC)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C52H96N2O8/c1-11-13-15-17-19-21-23-25-27-29-31-33-50(41-38-48(7,8)54-49(9,10)39-41,37-40-35-46(3,4)53-47(5,6)36-40)51(42(55)56,52(43(57)58,44(59)60)45(61)62)34-32-30-28-26-24-22-20-18-16-14-12-2/h40-41,53-54H,11-39H2,1-10H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62)
InChIKeyBAJHHAFFXYZQCI-UHFFFAOYSA-N
XLogP13.19
TPSA173.26 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.35
LogP ≤ 513.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]-3-tridecylhexadecane-1,1,1,2-tetracarboxylic acid
CID 154186803
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)nonanedioic acid
CID 21293228
azane;2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid
CID 118368680
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dibutylpropanedioate
CID 20512140
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptanedioic acid
CID 21293230
2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
CID 88746515
2-dodec-2-enyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanedioic acid
CID 54247790
2-ethyl-2-methoxyoctadecanoic acid
CID 174934080
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994
1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol
CID 167575636
2-cyclopentyl-2-methyldecanoic acid
CID 175087816

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid?
The IUPAC name of 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid (CID 23497897) is 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid.
What is the SMILES notation for 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid?
The canonical SMILES for 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid is CCCCCCCCCCCCCC(CC1CC(C)(C)NC(C)(C)C1)(C1CC(C)(C)NC(C)(C)C1)C(CCCCCCCCCCCCC)(C(=O)O)C(C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid?
The InChIKey is BAJHHAFFXYZQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H96N2O8/c1-11-13-15-17-19-21-23-25-27-29-31-33-50(41-38-48(7,8)54-49(9,10)39-41,37-40-35-46(3,4)53-47(5,6)36-40)51(42(55)56,52(43(57)58,44(59)60)45(61)62)34-32-30-28-26-24-22-20-18-16-14-12-2/h40-41,53-54H,11-39H2,1-10H3,(H,55,56)(H,57,58)(H,59,60)(H,61,62).
What are the key properties of 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid?
3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid has a molecular weight of 877.35 g/mol, XLogP of 13.19, 33 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-tridecylhexadecane-1,1,1,2-tetracarboxylic acid is sourced from PubChem (CID 23497897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).